2-[(5-aminothiadiazol-4-yl)methyl]-5-piperidin-1-ylpyridazin-3-one

C12H16N6OS — CID 114397251

IUPAC2-[(5-aminothiadiazol-4-yl)methyl]-5-piperidin-1-ylpyridazin-3-one
SMILESNc1snnc1Cn1ncc(N2CCCCC2)cc1=O
InChIInChI=1S/C12H16N6OS/c13-12-10(15-16-20-12)8-18-11(19)6-9(7-14-18)17-4-2-1-3-5-17/h6-7H,1-5,8,13H2
InChIKeyNKEZNOMSIFDBKY-UHFFFAOYSA-N
MW292.37 g/mol
LogP0.72
Rot. Bonds3

About 2-[(5-aminothiadiazol-4-yl)methyl]-5-piperidin-1-ylpyridazin-3-one

2-[(5-aminothiadiazol-4-yl)methyl]-5-piperidin-1-ylpyridazin-3-one (PubChem CID 114397251) has the molecular formula C12H16N6OS and a molecular weight of 292.37 g/mol. Its IUPAC name is 2-[(5-aminothiadiazol-4-yl)methyl]-5-piperidin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[(5-aminothiadiazol-4-yl)methyl]-5-piperidin-1-ylpyridazin-3-one
PubChem CID114397251
Molecular FormulaC12H16N6OS
Molecular Weight292.37 g/mol
Exact Mass292.11
IUPAC Name2-[(5-aminothiadiazol-4-yl)methyl]-5-piperidin-1-ylpyridazin-3-one
SMILESNc1snnc1Cn1ncc(N2CCCCC2)cc1=O
InChIInChI=1S/C12H16N6OS/c13-12-10(15-16-20-12)8-18-11(19)6-9(7-14-18)17-4-2-1-3-5-17/h6-7H,1-5,8,13H2
InChIKeyNKEZNOMSIFDBKY-UHFFFAOYSA-N
XLogP0.72
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-aminothiadiazol-4-yl)methyl]-5-piperidin-1-ylpyridazin-3-one?
The IUPAC name of 2-[(5-aminothiadiazol-4-yl)methyl]-5-piperidin-1-ylpyridazin-3-one (CID 114397251) is 2-[(5-aminothiadiazol-4-yl)methyl]-5-piperidin-1-ylpyridazin-3-one.
What is the SMILES notation for 2-[(5-aminothiadiazol-4-yl)methyl]-5-piperidin-1-ylpyridazin-3-one?
The canonical SMILES for 2-[(5-aminothiadiazol-4-yl)methyl]-5-piperidin-1-ylpyridazin-3-one is Nc1snnc1Cn1ncc(N2CCCCC2)cc1=O.
What is the InChIKey of 2-[(5-aminothiadiazol-4-yl)methyl]-5-piperidin-1-ylpyridazin-3-one?
The InChIKey is NKEZNOMSIFDBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6OS/c13-12-10(15-16-20-12)8-18-11(19)6-9(7-14-18)17-4-2-1-3-5-17/h6-7H,1-5,8,13H2.
What are the key properties of 2-[(5-aminothiadiazol-4-yl)methyl]-5-piperidin-1-ylpyridazin-3-one?
2-[(5-aminothiadiazol-4-yl)methyl]-5-piperidin-1-ylpyridazin-3-one has a molecular weight of 292.37 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-aminothiadiazol-4-yl)methyl]-5-piperidin-1-ylpyridazin-3-one is sourced from PubChem (CID 114397251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).